5-メチル-2-チオウラシル

2-Thiothymine

HCID 720471CAS 636-26-0

基本情報

標準SMILES
Cc1c[nH]c(=S)[nH]c1=O
InChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-N
分子式
C5H6N2OS
平均分子量
142.18 g/mol
単同位体質量
142.02008381

概要

5-methyl-2-thiouracil is a white crystalline solid. (NTP, 1992)

名称と識別子

優先名称
2-Thiothymine
IUPAC
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
現地名
5-メチル-2-チオウラシル
英語名
4-Hydroxy-5-methyl-2-mercaptopyrimidine
分子式
C5H6N2OS
分子量
142.18

名称と別名

636-26-05-METHYL-2-THIOURACIL2-ThiothymineThymine, 2-thio-5-methyl-2-sulfanylidene-1H-pyrimidin-4-oneDTXSID9025665DTXCID505665RefChem:4838054-Hydroxy-5-methyl-2-mercaptopyrimidineThiothymine2-Mercapto-5-methylpyrimidin-4-olUracil, 5-methyl-2-thio-
名称をさらに表示
5-メチル-2-チオウラシル2,3-ジヒドロ-5-メチル-2-チオキソピリミジン-4(1H)-オン2-メルカプト-4-ヒドロキシ-5-メチルピリミジン4-ヒドロキシ-5-メチルピリミジン-2-チオール2-チオチミン4-ヒドロキシ-5-メチルピリミジン-2(1H)-チオン1,2-ジヒドロ-2-チオキソ-5-メチルピリミジン-4(3H)-オン2-チオキソ-5-メチル-1,2,3,4-テトラヒドロピリミジン-4-オンチオチミン4-ヒドロキシ-2-メルカプト-5-メチルピリジン4-ヒドロキシ-5-メチル-2-チオピリミジン4-ヒドロキシ-5-メチル-2-メルカプトピリミジン5-メチル-2-チオウラシル, 98%2-thio-thymin5-Methyl-2-thiouracil>
4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one5-methyl-2-sulfanylpyrimidin-4-ol4(1H)-Pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-4-Hydroxy-2-mercapto-5-methylpyrimidineNSC9377MFCD000097775-Methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

データベース識別子

CAS
636-26-0
PubChem CID
720471
DTXSID
DTXSID9025665
ChEMBL
CHEMBL3186154
EC Number
622-152-2
Nikkaji
J101.276B

物性

構造計算による物性

XLogP
0
極性表面積
73.2 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point541 to 547 °F (NTP, 1992)
Physical Description5-methyl-2-thiouracil is a white crystalline solid. (NTP, 1992)

物理化学的性質

融点
283 · 283-286°C
比重(密度)
1.36 · 1.36
屈折率
1.643 · 1.6430 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
powder to crystal
酸解離定数(Pka)
7.71 · pKa 7.71 (Uncertain)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile5-METHYL-2-THIOURACIL is heat sensitive and may be light sensitive.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, dampen the solid spill material with 5% ammonium hydroxide, then transfer the dampened material to a suitable container. Use absorbent paper dampened with 5% ammonium hydroxide to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with 5% ammonium hydroxide followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

tsca
TSCA listed
rtecs
XP2108500
hs_code
2933599590
risk_code
22-40-36/37/38
hazard_code
Xi
safety_code
22-36/37-26

化学と産業

用途と製造

General Manufacturing Information4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-: INACTIVE

応用分野

一般的な説明White crystalline solid.

サプライヤー50 社

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関連反応

6 件

関連ノート

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